N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H13N5O2S2 — CID 167991331

IUPACN-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1nc2sccn2c1CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H13N5O2S2/c1-9-11(19-3-5-24-15(19)17-9)8-18(2)12(21)10-7-16-14-20(13(10)22)4-6-23-14/h3-7H,8H2,1-2H3
InChIKeyOKUIEAZJETXOAB-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 167991331) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID167991331
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC NameN-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1nc2sccn2c1CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H13N5O2S2/c1-9-11(19-3-5-24-15(19)17-9)8-18(2)12(21)10-7-16-14-20(13(10)22)4-6-23-14/h3-7H,8H2,1-2H3
InChIKeyOKUIEAZJETXOAB-UHFFFAOYSA-N
XLogP2.05
TPSA71.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 167991331) is N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1nc2sccn2c1CN(C)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OKUIEAZJETXOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-9-11(19-3-5-24-15(19)17-9)8-18(2)12(21)10-7-16-14-20(13(10)22)4-6-23-14/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 359.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167991331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).